1N-[2-dihydroxymethoxy-1-(2-hydroxy-1-hydroxymethylethoxymethyl)ethyl]-2-amino-3-(4-dihydroxyBoronophenyl)propanamide (BPA(OH)4)

ID: ALA47215

Chembl Id: CHEMBL47215

PubChem CID: 10252089

Max Phase: Preclinical

Molecular Formula: C18H31BN2O9

Molecular Weight: 430.26

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  NC(Cc1ccc(B(O)O)cc1)C(=O)NC(COC(CO)CO)COC(CO)CO

Standard InChI:  InChI=1S/C18H31BN2O9/c20-17(5-12-1-3-13(4-2-12)19(27)28)18(26)21-14(10-29-15(6-22)7-23)11-30-16(8-24)9-25/h1-4,14-17,22-25,27-28H,5-11,20H2,(H,21,26)

Standard InChI Key:  WMOWJDFNWDLBOE-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA47215

   [4-[2-Amino-3-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-ylamino]-3-oxopropyl]phenyl]boronic acid

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 430.26

Molecular Weight (Monoisotopic): 430.2123

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References

1. Nemoto H, Cai J, Asao N, Iwamoto S, Yamamoto Y..  (1995)  Synthesis and biological properties of water-soluble p-boronophenylalanine derivatives. Relationship between water solubility, cytotoxicity, and cellular uptake.,  38  (10): [PMID:7752191] [10.1021/jm00010a012]

Source

Source(1):

• Scientific Literature